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SCHEMBL2189136

SCHEMBL2189136

Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(OC[C@H]5CN(c6ccc(-c7ccc(-c8nnn(C)n8)nc7)c(F)c6)C(=O)O5)OP(=O)(O)O)OC4=O)cc3F)cn2)n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 12/20 0.76
▸ MAOB P27338 2/20 0.76
▸ CALML3 P27482 6/20 0.46
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13144426 0.96 MAOA (0.76) MAOAMAOBCALML3CYP2C19CYP2C9
Tedizolid Phosphate SCHEMBL29766931 0.95 MAOA (0.79) MAOAMAOBCALML3CYP2C19CYP2C9
Tedizolid Phosphate SCHEMBL29377855 0.95 MAOA (0.79) MAOAMAOBCALML3CYP2C19CYP2C9
Tedizolid Phosphate SCHEMBL1990278 0.95 MAOA (0.79) MAOAMAOBCALML3CYP2C19CYP2C9
Tedizolid Phosphate SCHEMBL1557561 0.95 MAOA (0.79) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL1990275 0.95 MAOA (0.82) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL12991629 0.94 MAOA (0.78) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL20216092 0.94 MAOA (0.81) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL13144441 0.94 MAOA (0.81) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL12997802 0.93 MAOA (0.78) MAOAMAOBCALML3CYP2C19CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346858-A2 METHODS FOR PREPARING OXAZOLIDINONES AND COMPOSITIONS CONTAINING THEM Trius Therapeutics (US) 2011-07-27 — — EP disclosed